Spektraris NMR
xyloccensin V
Common Name: xyloccensin V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H40O15/c1-16(36)44-22-13-33-30(6)20(11-23(39)42-8)28(4)15-32(30,41)35(47-18(3)38,26(28)45-17(2)37)27-34(33,50-31(7,48-27)49-33)21-12-24(40)46-25(29(21,22)5)19-9-10-43-14-19/h9-10,12,14,20,22,25-27,41H,11,13,15H2,1-8H3/t20-,22-,25-,26-,27-,28-,29-,30+,31?,32+,33-,34+,35-/m1/s1
InChIKey: InChIKey=HTMCMJXLLHUKQL-OGXBZQRBSA-N
Formula: C35H40O15
Molecular Weight: 700.68446
Exact Mass: 700.236721
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wu, J., Xiao, Q., Zhang, S., Li, X., Xiao, Z., Ding, H., Li, Q. Tetrahedron (2005) 61, 8382-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 84.8 |
| 2 (C) | 84.4 |
| 3 (CH) | 86.1 |
| 4 (C) | 45.4 |
| 5 (CH) | 40.9 |
| 6 (CH2) | 33.4 |
| 7 (C) | 175.5 |
| 8 (C) | 84.9 |
| 9 (C) | 86.6 |
| 10 (C) | 48.8 |
| 11 (CH2) | 33.3 |
| 12 (CH) | 69.3 |
| 13 (C) | 43.7 |
| 14 (C) | 153.9 |
| 15 (CH) | 124.8 |
| 16 (C) | 163.6 |
| 17 (CH) | 79.5 |
| 18 (CH3) | 14.9 |
| 19 (CH3) | 14.8 |
| 20 (C) | 122.4 |
| 21 (CH) | 142.8 |
| 22 (CH) | 111.1 |
| 23 (CH) | 144.4 |
| 28 (CH3) | 15.6 |
| 29 (CH2) | 40.3 |
| 30 (CH) | 75.1 |
| 2a (C) | 169 |
| 2b (CH3) | 21.6 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.7 |
| 7a (CH3) | 52.5 |
| 8a (C) | 120.7 |
| 8b (CH3) | 16.5 |
| 12a (C) | 170.7 |
| 12b (CH3) | 20 |
